SCHEMBL569045

SCHEMBL569045

COCCn1c(Oc2ccc(Br)cc2)nc2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.43
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2C19 P33261 3/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C9 P11712 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL569065 0.82 LMNA (0.43) ALDH1A1MAPTKMT2AMAPK1POLB
SCHEMBL15064386 0.81 DGAT1 (0.43) TP53MAPTKMT2AKDM4EGAA
SCHEMBL569384 0.81 THRB (0.37) TP53MAPTKMT2APOLBKDM4E
SCHEMBL12683789 0.77 ALDH1A1 (0.39) ALDH1A1NPSR1TP53MAPTKMT2A
SCHEMBL570302 0.77 ALDH1A1 (0.40) ALDH1A1NPSR1TP53MAPTKMT2A
SCHEMBL15068355 0.76 ALDH1A1 (0.41) ALDH1A1NPSR1TP53KMT2ACYP1A2
SCHEMBL12473789 0.75 TP53 (0.39) ALDH1A1NPSR1TP53MAPTKMT2A
SCHEMBL15418262 0.74 TP53 (0.37) ALDH1A1NPSR1TP53MAPTKMT2A
SCHEMBL570249 0.74 CYP1A2 (0.41) ALDH1A1TP53KMT2ACYP1A2CYP3A4
SCHEMBL15065321 0.74 MAPK14 (0.41) ALDH1A1NPSR1TP53MAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601192-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A ALDH1A1 270/4885NPSR1 1090/4885TP53 4189/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.